N-(4-morpholin-4-ylbutyl)methanesulfonamide

C9H20N2O3S — CID 20656530

IUPACN-(4-morpholin-4-ylbutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,2-9H2,1H3
InChIKeyFCODGCDZUZKAEM-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds6

About N-(4-morpholin-4-ylbutyl)methanesulfonamide

N-(4-morpholin-4-ylbutyl)methanesulfonamide (PubChem CID 20656530) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutyl)methanesulfonamide
PubChem CID20656530
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-morpholin-4-ylbutyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCN1CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,2-9H2,1H3
InChIKeyFCODGCDZUZKAEM-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutyl)methanesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylbutyl)methanesulfonamide (CID 20656530) is N-(4-morpholin-4-ylbutyl)methanesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylbutyl)methanesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylbutyl)methanesulfonamide is CS(=O)(=O)NCCCCN1CCOCC1.
What is the InChIKey of N-(4-morpholin-4-ylbutyl)methanesulfonamide?
The InChIKey is FCODGCDZUZKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-15(12,13)10-4-2-3-5-11-6-8-14-9-7-11/h10H,2-9H2,1H3.
What are the key properties of N-(4-morpholin-4-ylbutyl)methanesulfonamide?
N-(4-morpholin-4-ylbutyl)methanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutyl)methanesulfonamide is sourced from PubChem (CID 20656530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).